SCHEMBL16168905

SCHEMBL16168905

c1ccc(C2=NNC(c3ccc(-c4cc5c6c(ccc7cc(-c8ccc9ccccc9c8)cc(c76)C5(c5ccccc5)c5ccccc5)c4)cc3)S2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MECP2 P51608 3/20 0.47
▸ MBD2 Q9UBB5 3/20 0.47
▸ RAB9A P51151 8/20 0.44
▸ NPC1 O15118 7/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 5/20 0.37
▸ HPGD P15428 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GAA P10253 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15316847 0.70 ESR1 (0.35) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL15423221 0.69 MEN1 (0.40) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL12387541 0.68 ESR1 (0.37) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL16168901 0.68 HTR2B (0.41) ALDH1A1
SCHEMBL16168906 0.66 CYP19A1 (0.51) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL18380700 0.65 CYP19A1 (0.50) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL23839723 0.65 MEN1 (0.37) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL17849629 0.65 HSD17B1 (0.33) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL17849615 0.65 BACE1 (0.31) ESR1ESR2
SCHEMBL17849635 0.63 MEN1 (0.33) RAB9ANPC1SMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9548456-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-17 — — US disclosed
US-9548456-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-17 — — US disclosed
US-20140306190-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-16 — — US disclosed
US-20140306190-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-16 — — US disclosed
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